2-methylpropyl N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(3-morpholin-4-ium-4-ylpropyl)carbamimidate

Systemtic Name: 2-methylpropyl N-(1,3-benzodioxol-5-ylcarbonyl)-N'-(3-morpholin-4-ium-4-ylpropyl)carbamimidate Openeye Name: N-[C-isobutoxy-N-(3-morpholin-4-ium-4-ylpropyl)carbonimidoyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[1,3-benzodioxol-5-yl(oxo)methyl]-N'-[3-(4-morpholin-4-iumyl)propyl]carbamimidic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-(1,3-benzodioxole-5-carbonyl)-N'-(3-morpholin-4-ium-4-ylpropyl)carbamimidate Traditional Name: N-[C-isobutoxy-N-(3-morpholin-4-ium-4-ylpropyl)carbonimidoyl]-piperonylamide Formula: C20H30N3O5+ MolecularWeight: 392.4693

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=NCCC[NH+]1CCOCC1)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)COC(=NCCC[NH+]1CCOCC1)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H29N3O5/c1-15(2)13-26-20(21-6-3-7-23-8-10-25-11-9-23)22-19(24)16-4-5-17-18(12-16)28-14-27-17/h4-5,12,15H,3,6-11,13-14H2,1-2H3,(H,21,22,24)/p+1